SIMGLYCANTOOL SUITE

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This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. SimGlycan is a commercial software for the interpretation of glycan mass spectrometric data (http://www.premierbiosoft.com/glycan/index.html). The program provides convenient methods for annotation and exploration of mass spectral data. In cooperation with Premier Biosoft developers, we are working on extending this program for high-throughput glycomics analysis. After structural assignment is completed, the SimGlycan product does not support facile exploration of these results. We are developing a suite of tools based on SimGlycan result files that will support the display and exploration of large amount of data generated by high-throughput, mass spectrometry-based glycomics. These tools will: (1) convert the existing output files into a more intuitive and readable format, (2) extend the existing output files with new parameters that are critical to evaluate the annotation, (3) compare the result of several samples, and (4) create a customized SimGlycan structure database based on highly curated structures in GlycO. (See SPID 0142).